SCHEMBL8539405

SCHEMBL8539405

COC(=O)CCn1c(C)c(Cn2ccnc2)c2cc(CCNC(=O)OCc3ccccc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.53
HRH4 Q9H3N8 1/20 0.42
CYP19A1 P11511 1/20 0.41
PDE1B Q01064 1/20 0.41
PLA2G2A P14555 2/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9023777 0.94 TBXAS1 (0.61) TBXAS1HRH4CYP19A1PLA2G2APTGDR2
SCHEMBL8540826 0.85 TBXAS1 (0.50) TBXAS1HRH4CYP19A1PLA2G2ACTSS
SCHEMBL8541166 0.85 TBXAS1 (0.66) TBXAS1PLA2G2A
SCHEMBL8582800 0.83 TBXAS1 (0.55) TBXAS1CYP19A1PLA2G2APOLB
SCHEMBL9023498 0.79 TBXAS1 (0.58) TBXAS1HRH4CYP19A1PLA2G2ACTSS
SCHEMBL8541550 0.79 TBXAS1 (0.78) TBXAS1CYP19A1POLB
SCHEMBL9023844 0.78 TBXAS1 (0.72) TBXAS1PLA2G2A
SCHEMBL8582880 0.76 TBXAS1 (0.56) TBXAS1HRH4CYP19A1
SCHEMBL8541010 0.75 TBXAS1 (0.55) TBXAS1CYP19A1
SCHEMBL8541003 0.75 TBXAS1 (0.55) TBXAS1CYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP disclosed
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US disclosed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO disclosed